5-(1,3-benzothiazol-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]thiophene-2-carboxamide

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]thiophene-2-carboxamide Openeye Name: 5-(1,3-benzothiazol-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]thiophene-2-carboxamide CAS Name: 5-(1,3-benzothiazol-2-yl)-N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-thiophenecarboxamide IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]thiophene-2-carboxamide Traditional Name: 5-(1,3-benzothiazol-2-yl)-N-[4-(isobutyrylamino)phenyl]thiophene-2-carboxamide Formula: C22H19N3O2S2 MolecularWeight: 421.53516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H19N3O2S2/c1-13(2)20(26)23-14-7-9-15(10-8-14)24-21(27)18-11-12-19(28-18)22-25-16-5-3-4-6-17(16)29-22/h3-13H,1-2H3,(H,23,26)(H,24,27)